smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1	ZINC000408801191	560642441	/nfs/dbraw/zinc/64/24/41/560642441.db2.gz	SBGZVQCLKOXXPK-UHFFFAOYSA-N	-1	1	401.762	2.577	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1	ZINC000408801191	560642443	/nfs/dbraw/zinc/64/24/43/560642443.db2.gz	SBGZVQCLKOXXPK-UHFFFAOYSA-N	-1	1	401.762	2.577	40	10		HFCBMM
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1	ZINC000005746145	560738451	/nfs/dbraw/zinc/73/84/51/560738451.db2.gz	BFVMSROYDBKOAG-UHFFFAOYSA-N	-1	1	400.818	2.856	40	10		HFCBMM
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1	ZINC000005746145	560738453	/nfs/dbraw/zinc/73/84/53/560738453.db2.gz	BFVMSROYDBKOAG-UHFFFAOYSA-N	-1	1	400.818	2.856	40	10		HFCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1C	ZINC000059678388	568709829	/nfs/dbraw/zinc/70/98/29/568709829.db2.gz	NOJMMJVOSDKZHN-XWAFYUISSA-N	-1	1	424.478	2.987	40	10		HFCBMM
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000107892751	569361111	/nfs/dbraw/zinc/36/11/11/569361111.db2.gz	WEYBRARGZWRLLE-IIMQCXAKSA-N	-1	1	422.437	2.737	40	10		HFCBMM
O=C([O-])Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000009264433	132337777	/nfs/dbraw/zinc/33/77/77/132337777.db2.gz	OGLWAABRBKSAOW-PXNMLYILSA-N	-1	1	423.425	2.696	40	10		HFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1Cc1ccccc1F	ZINC000408868741	560648769	/nfs/dbraw/zinc/64/87/69/560648769.db2.gz	PYOSIWGGQCGMIR-UHFFFAOYSA-N	-1	1	404.850	2.993	40	10		HFCBMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccccc1Br	ZINC000408998113	560663387	/nfs/dbraw/zinc/66/33/87/560663387.db2.gz	IAOYULPYNCMZKI-UHFFFAOYSA-N	-1	1	404.289	2.771	40	10		HFCBMM
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(=O)NC2=S)c1	ZINC000009260238	132337784	/nfs/dbraw/zinc/33/77/84/132337784.db2.gz	QRRHTTKFBFLSHT-PDGQHHTCSA-N	-1	1	421.478	2.816	40	10		HFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1	ZINC000408733669	557797748	/nfs/dbraw/zinc/79/77/48/557797748.db2.gz	ZIGWEJOALRKGNU-UHFFFAOYSA-N	-1	1	417.284	2.942	40	10		HFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1Cc1ccccc1Br	ZINC000408866889	560648466	/nfs/dbraw/zinc/64/84/66/560648466.db2.gz	IZXXXEAGDRNFHA-UHFFFAOYSA-N	-1	1	401.285	2.954	40	10		HFCBMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000408993110	560662971	/nfs/dbraw/zinc/66/29/71/560662971.db2.gz	CMQLVKAAFLJJNE-UHFFFAOYSA-N	-1	1	404.835	2.570	40	10		HFCBMM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)c1	ZINC000409188827	560688157	/nfs/dbraw/zinc/68/81/57/560688157.db2.gz	AWNTYFADBYMUFU-MPMPPSQCSA-N	-1	1	424.478	2.987	40	10		HFCBMM
COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(Cc2ccccc2Br)c1	ZINC000408871514	560648990	/nfs/dbraw/zinc/64/89/90/560648990.db2.gz	GZBMGAOKTKGXRW-UHFFFAOYSA-N	-1	1	415.243	2.798	40	10		HFCBMM
COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(Cc2ccccc2Br)c1	ZINC000408871514	560648992	/nfs/dbraw/zinc/64/89/92/560648992.db2.gz	GZBMGAOKTKGXRW-UHFFFAOYSA-N	-1	1	415.243	2.798	40	10		HFCBMM
COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(Cc2ccccc2Br)c1	ZINC000408871514	560648994	/nfs/dbraw/zinc/64/89/94/560648994.db2.gz	GZBMGAOKTKGXRW-UHFFFAOYSA-N	-1	1	415.243	2.798	40	10		HFCBMM
CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1O	ZINC000408903150	560652321	/nfs/dbraw/zinc/65/23/21/560652321.db2.gz	QAQSOKBESDHHQH-RIYZIHGNSA-N	-1	1	415.333	2.505	40	10		HFCBMM
COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1O	ZINC000408897991	560651581	/nfs/dbraw/zinc/65/15/81/560651581.db2.gz	KEQIFZWXVODUMF-OVCLIPMQSA-N	-1	1	411.370	2.592	40	10		HFCBMM
O=C1[N-]C(=S)S/C1=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000408898985	560651707	/nfs/dbraw/zinc/65/17/07/560651707.db2.gz	YVQPSVNQYMFRNP-LCYFTJDESA-N	-1	1	422.465	2.851	40	10		HFCBMM
CCOc1cccc(N2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)NC2=S)c1	ZINC000408963340	560658649	/nfs/dbraw/zinc/65/86/49/560658649.db2.gz	NHBVTODFBHVOLR-RIYZIHGNSA-N	-1	1	413.411	2.530	40	10		HFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000409214476	560696491	/nfs/dbraw/zinc/69/64/91/560696491.db2.gz	XXOBVXQDLXLFKN-LFYBBSHMSA-N	-1	1	417.761	2.629	40	10		HFCBMM
CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C(=O)[N-]C1=S	ZINC000409393064	560719281	/nfs/dbraw/zinc/71/92/81/560719281.db2.gz	UVYSSOGSQVRUNO-GZTJUZNOSA-N	-1	1	411.483	2.527	40	10		HFCBMM
COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000033547148	569360157	/nfs/dbraw/zinc/36/01/57/569360157.db2.gz	OWZPUNLECMJRTH-PDICVPPASA-N	-1	1	416.817	2.662	40	10		HFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000408869118	560648760	/nfs/dbraw/zinc/64/87/60/560648760.db2.gz	RMLGGJIFDCYJCT-UHFFFAOYSA-N	-1	1	417.830	2.742	40	10		HFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1Cc1cccc(F)c1	ZINC000408879322	560649249	/nfs/dbraw/zinc/64/92/49/560649249.db2.gz	DFPCFZIGCVTTLU-UHFFFAOYSA-N	-1	1	404.850	2.993	40	10		HFCBMM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1)c1cccc2ccccc21	ZINC000408890465	560650186	/nfs/dbraw/zinc/65/01/86/560650186.db2.gz	UGDXNQLGYDUGFB-UHFFFAOYSA-N	-1	1	402.431	2.973	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)C(=O)N1	ZINC000409066428	560672410	/nfs/dbraw/zinc/67/24/10/560672410.db2.gz	VNULOUXGLUGGPK-UHFFFAOYSA-N	-1	1	412.764	2.964	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)C(=O)N1	ZINC000409066428	560672411	/nfs/dbraw/zinc/67/24/11/560672411.db2.gz	VNULOUXGLUGGPK-UHFFFAOYSA-N	-1	1	412.764	2.964	40	10		HFCBMM
CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)o1	ZINC000409195528	560690208	/nfs/dbraw/zinc/69/02/08/560690208.db2.gz	QMZHKEXOFKCSEV-RVDMUPIBSA-N	-1	1	413.455	2.655	40	10		HFCBMM
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000033475816	569360161	/nfs/dbraw/zinc/36/01/61/569360161.db2.gz	ATPOBCWZLSCBCY-PDGQHHTCSA-N	-1	1	422.437	2.739	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)N1	ZINC000408883182	560650032	/nfs/dbraw/zinc/65/00/32/560650032.db2.gz	UBAKVVFGQKYMOB-UHFFFAOYSA-N	-1	1	419.206	2.917	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)N1	ZINC000408883182	560650033	/nfs/dbraw/zinc/65/00/33/560650033.db2.gz	UBAKVVFGQKYMOB-UHFFFAOYSA-N	-1	1	419.206	2.917	40	10		HFCBMM
COc1cccc(C=C2SC(=S)[N-]C2=O)c1OS(=O)(=O)c1ccccc1	ZINC000408887693	560650255	/nfs/dbraw/zinc/65/02/55/560650255.db2.gz	QJVMRQWCDSFOIW-UVTDQMKNSA-N	-1	1	407.494	2.952	40	10		HFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1OCc1ccccc1Br	ZINC000408894110	560650549	/nfs/dbraw/zinc/65/05/49/560650549.db2.gz	JCOKNADRYZJKDN-UHFFFAOYSA-N	-1	1	417.284	2.942	40	10		HFCBMM
CN1C(=O)/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)[N-]C1=S	ZINC000408912330	560652546	/nfs/dbraw/zinc/65/25/46/560652546.db2.gz	FEPXXZUBIJTQIK-LICLKQGHSA-N	-1	1	420.450	2.854	40	10		HFCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)c(C)c1	ZINC000409189139	560688821	/nfs/dbraw/zinc/68/88/21/560688821.db2.gz	DFQHLGZAUMCUGO-LUYJPIOASA-N	-1	1	424.478	2.987	40	10		HFCBMM
Cc1ccc(S(=O)(=O)Nc2ccc([O-])c(Sc3nc[nH]n3)c2)cc1[N+](=O)[O-]	ZINC000008859973	571128282	/nfs/dbraw/zinc/12/82/82/571128282.db2.gz	DPCMDGLZGJKCSG-UHFFFAOYSA-N	-1	1	407.433	2.679	40	10		HFCBMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1	ZINC000019718573	558982047	/nfs/dbraw/zinc/98/20/47/558982047.db2.gz	QBMDQHCRESZJGT-MRXNPFEDSA-N	-1	1	422.533	2.772	40	10		HFCBMM
O=C([O-])COc1ccccc1C=C1C(=O)NC(=S)N(c2ccccc2F)C1=O	ZINC000033331166	568696913	/nfs/dbraw/zinc/69/69/13/568696913.db2.gz	FPNHGTHBYBCJMF-FMIVXFBMSA-N	-1	1	400.387	2.961	40	10		HFCBMM
O=C([O-])c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	ZINC000408553525	557432814	/nfs/dbraw/zinc/43/28/14/557432814.db2.gz	ZSZVPUFKVSNXTJ-WQLSENKSSA-N	-1	1	419.821	2.921	40	10		HFCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000408851851	560646805	/nfs/dbraw/zinc/64/68/05/560646805.db2.gz	GRUNGKXHOZXPFH-RIYZIHGNSA-N	-1	1	411.370	2.674	40	10		HFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	ZINC000408885133	560649931	/nfs/dbraw/zinc/64/99/31/560649931.db2.gz	XBMQPNAKJYTOKH-UHFFFAOYSA-N	-1	1	417.830	2.742	40	10		HFCBMM
CN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000408917027	560653453	/nfs/dbraw/zinc/65/34/53/560653453.db2.gz	LAORUAZYTBADCZ-GZTJUZNOSA-N	-1	1	418.478	2.537	40	10		HFCBMM
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000034857579	557018360	/nfs/dbraw/zinc/01/83/60/557018360.db2.gz	XFOJPUFMHASOGN-ZSOIEALJSA-N	-1	1	416.817	2.664	40	10		HFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(Br)cc1	ZINC000408873311	560649048	/nfs/dbraw/zinc/64/90/48/560649048.db2.gz	SQMUCOBCNYVBLD-UHFFFAOYSA-N	-1	1	417.284	2.942	40	10		HFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Br)c1OCC	ZINC000408911948	560653335	/nfs/dbraw/zinc/65/33/35/560653335.db2.gz	PCMYAJBMIWPWOC-UXBLZVDNSA-N	-1	1	413.293	2.503	40	10		HFCBMM
O=C(Nc1ccc(Cl)cc1)c1c[n-]n2c1nc(CCCN1CCOCC1)cc2=O	ZINC000019335567	558869695	/nfs/dbraw/zinc/86/96/95/558869695.db2.gz	MDQLUPBGUPGLGV-UHFFFAOYSA-N	-1	1	415.881	2.605	40	10		HFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2Br)cc1	ZINC000408892162	560650987	/nfs/dbraw/zinc/65/09/87/560650987.db2.gz	BNPCGDFXCKOQBQ-UHFFFAOYSA-N	-1	1	417.284	2.942	40	10		HFCBMM
CN1C(=O)C(=Cc2cn(CC(=O)NCc3ccco3)c3ccccc23)C(=O)[N-]C1=S	ZINC000033387828	568696819	/nfs/dbraw/zinc/69/68/19/568696819.db2.gz	ZALNOQFOLLFBQG-SXGWCWSVSA-N	-1	1	422.466	2.648	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2Cc2cccc(F)c2)C(=O)N1	ZINC000408874321	560649240	/nfs/dbraw/zinc/64/92/40/560649240.db2.gz	BFESGQYXBGYOJN-UHFFFAOYSA-N	-1	1	403.207	2.928	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2Cc2cccc(F)c2)C(=O)N1	ZINC000408874321	560649241	/nfs/dbraw/zinc/64/92/41/560649241.db2.gz	BFESGQYXBGYOJN-UHFFFAOYSA-N	-1	1	403.207	2.928	40	10		HFCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000408902102	560651576	/nfs/dbraw/zinc/65/15/76/560651576.db2.gz	GDAXNPRGTXTCOI-NTUHNPAUSA-N	-1	1	415.333	2.505	40	10		HFCBMM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])cc3)C(=O)NC2=S)c1	ZINC000408992652	560662562	/nfs/dbraw/zinc/66/25/62/560662562.db2.gz	UOPQVEHBUYSJHG-LICLKQGHSA-N	-1	1	410.451	2.598	40	10		HFCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1C	ZINC000059678387	568709944	/nfs/dbraw/zinc/70/99/44/568709944.db2.gz	NOJMMJVOSDKZHN-BGARDKSCSA-N	-1	1	424.478	2.987	40	10		HFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc([N+](=O)[O-])c1O	ZINC000038173442	569360795	/nfs/dbraw/zinc/36/07/95/569360795.db2.gz	JKPCTLXVUKLPMJ-WUXMJOGZSA-N	-1	1	401.331	2.794	40	10		HFCBMM
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)cc1	ZINC000002236467	557329996	/nfs/dbraw/zinc/32/99/96/557329996.db2.gz	ZKFQMGOPDBURNC-MHWRWJLKSA-N	-1	1	406.350	2.900	40	10		HFCBMM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])cc(OC)c3O)C2=O)cc1	ZINC000408982119	560661105	/nfs/dbraw/zinc/66/11/05/560661105.db2.gz	GACSCUITSIIBJL-DHDCSXOGSA-N	-1	1	411.370	2.538	40	10		HFCBMM
Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)NC2=S)c1C	ZINC000409190487	560689128	/nfs/dbraw/zinc/68/91/28/560689128.db2.gz	OMAAMRMGRYNBEU-DSQDWWTGSA-N	-1	1	424.478	2.987	40	10		HFCBMM
Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)c1C	ZINC000409190488	560689157	/nfs/dbraw/zinc/68/91/57/560689157.db2.gz	OMAAMRMGRYNBEU-LUYJPIOASA-N	-1	1	424.478	2.987	40	10		HFCBMM
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)C(=O)[N-]C1=S	ZINC000409391777	560719052	/nfs/dbraw/zinc/71/90/52/560719052.db2.gz	LGUCPWFBQWGDMI-CXUHLZMHSA-N	-1	1	412.471	2.957	40	10		HFCBMM
COc1cccc(C=C2SC(NN=c3[n-]c(C)c(C(C)=O)s3)=NC2=O)c1O	ZINC000003593517	557494092	/nfs/dbraw/zinc/49/40/92/557494092.db2.gz	VDFVWDUGQMWNGL-GHXNOFRVSA-N	-1	1	404.473	2.955	40	10		HFCBMM
Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408994589	560663186	/nfs/dbraw/zinc/66/31/86/560663186.db2.gz	ICBZRYYYDWJKHF-QPEQYQDCSA-N	-1	1	401.806	2.537	40	10		HFCBMM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)NC2=S)c1	ZINC000409188829	560688126	/nfs/dbraw/zinc/68/81/26/560688126.db2.gz	AWNTYFADBYMUFU-SWEABUAFSA-N	-1	1	424.478	2.987	40	10		HFCBMM
Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21	ZINC000409190963	560689239	/nfs/dbraw/zinc/68/92/39/560689239.db2.gz	CVXFJHBUZIEZOQ-MHWRWJLKSA-N	-1	1	405.435	2.708	40	10		HFCBMM
COCc1nc(N2CCN(c3ccc(OC)cc3)CC2)[n-]c(=O)c1Cc1ccccc1	ZINC000022448618	558489969	/nfs/dbraw/zinc/48/99/69/558489969.db2.gz	WYNMDQQIBKPDDL-UHFFFAOYSA-N	-1	1	420.513	2.842	40	10		HFCBMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc(Br)c1	ZINC000408999725	560663678	/nfs/dbraw/zinc/66/36/78/560663678.db2.gz	XMEAELRGQZKDOH-UHFFFAOYSA-N	-1	1	404.289	2.771	40	10		HFCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)cc1	ZINC000409188961	560688226	/nfs/dbraw/zinc/68/82/26/560688226.db2.gz	LPCYIGIZUFDBGA-YRNVUSSQSA-N	-1	1	421.228	2.572	40	10		HFCBMM
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O)C(=O)[O-]	ZINC000409191521	560689401	/nfs/dbraw/zinc/68/94/01/560689401.db2.gz	YCYAIQFQISEZHK-BVRAVYJCSA-N	-1	1	414.414	2.509	40	10		HFCBMM
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)C(=O)[N-]C1=S	ZINC000409390896	560718820	/nfs/dbraw/zinc/71/88/20/560718820.db2.gz	GEHOIWRICXSJJO-WOJGMQOQSA-N	-1	1	410.499	2.699	40	10		HFCBMM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O	ZINC000033345497	568696726	/nfs/dbraw/zinc/69/67/26/568696726.db2.gz	YNAQXOYOKJXDQD-MDWZMJQESA-N	-1	1	404.176	2.524	40	10		HFCBMM
O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)c1	ZINC000041076793	526387243	/nfs/dbraw/zinc/38/72/43/526387243.db2.gz	FFZYEWIBCULOPF-MHWRWJLKSA-N	-1	1	406.350	2.900	40	10		HFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1cccc(F)c1	ZINC000408878675	560649684	/nfs/dbraw/zinc/64/96/84/560649684.db2.gz	BHGOBHLMSZCVNI-UHFFFAOYSA-N	-1	1	400.431	2.718	40	10		HFCBMM
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)o1	ZINC000409373982	560717061	/nfs/dbraw/zinc/71/70/61/560717061.db2.gz	XJDNQUPEQCFDHA-MHWRWJLKSA-N	-1	1	406.350	2.900	40	10		HFCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)cc1C	ZINC000409189246	560687978	/nfs/dbraw/zinc/68/79/78/560687978.db2.gz	NUYFRRVMWZAQFR-MPMPPSQCSA-N	-1	1	424.478	2.987	40	10		HFCBMM
CCc1ccccc1N1C(=O)/C(=C/c2ccccc2O[C@H](C)C(=O)[O-])C(=O)NC1=S	ZINC000409194597	560690007	/nfs/dbraw/zinc/69/00/07/560690007.db2.gz	PMLRLEHNQBJMHG-MLDYKZIASA-N	-1	1	424.478	2.932	40	10		HFCBMM
CCc1ccccc1N1C(=O)/C(=C/c2ccccc2O[C@@H](C)C(=O)[O-])C(=O)NC1=S	ZINC000409194595	560690023	/nfs/dbraw/zinc/69/00/23/560690023.db2.gz	PMLRLEHNQBJMHG-HKJJFUAXSA-N	-1	1	424.478	2.932	40	10		HFCBMM
CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)[O-])C(=O)NC2=S)cc1	ZINC000409375697	560716199	/nfs/dbraw/zinc/71/61/99/560716199.db2.gz	OBKDHBZCIPOOHO-LFIBNONCSA-N	-1	1	410.451	2.544	40	10		HFCBMM
COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000033547149	569360199	/nfs/dbraw/zinc/36/01/99/569360199.db2.gz	OWZPUNLECMJRTH-BTAWCLGRSA-N	-1	1	416.817	2.662	40	10		HFCBMM
COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2cccc(Cl)c2)c1	ZINC000408873033	560649052	/nfs/dbraw/zinc/64/90/52/560649052.db2.gz	MAPPQZZPQSEDTI-UHFFFAOYSA-N	-1	1	402.859	2.842	40	10		HFCBMM
COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000059292778	568703470	/nfs/dbraw/zinc/70/34/70/568703470.db2.gz	HGGGCQJRGWXNOI-GFJWLWTISA-N	-1	1	408.435	2.781	40	10		HFCBMM
N=C1/C(=C/c2ccc([O-])c(Br)c2)C(=O)N=C2SC(N3CCCC3)=NN21	ZINC000041085017	526837463	/nfs/dbraw/zinc/83/74/63/526837463.db2.gz	ZYSSHEWTTLSNNP-OIAJVEJOSA-N	-1	1	420.292	2.827	40	10		HFCBMM
CNS(=O)(=O)c1ccc(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)cc1	ZINC000100931036	559141891	/nfs/dbraw/zinc/14/18/91/559141891.db2.gz	RROSEYAWPRKHTQ-GZTJUZNOSA-N	-1	1	404.879	2.967	40	10		HFCBMM
CCc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000409188953	560688253	/nfs/dbraw/zinc/68/82/53/560688253.db2.gz	LJFSJCGWYLFGEI-LVLBFHFTSA-N	-1	1	424.478	2.932	40	10		HFCBMM
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000107892743	569361107	/nfs/dbraw/zinc/36/11/07/569361107.db2.gz	WEYBRARGZWRLLE-HIXWQLQUSA-N	-1	1	422.437	2.737	40	10		HFCBMM
CCOC(=O)Cn1c(C)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21	ZINC000107745729	569361149	/nfs/dbraw/zinc/36/11/49/569361149.db2.gz	FKFYXSJFYVYYLQ-UYRXBGFRSA-N	-1	1	403.438	2.974	40	10		HFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1cccc(F)c1	ZINC000408894457	560650523	/nfs/dbraw/zinc/65/05/23/560650523.db2.gz	IDAZPYNCLRUDOL-UHFFFAOYSA-N	-1	1	420.849	2.981	40	10		HFCBMM
CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1O	ZINC000408901339	560651292	/nfs/dbraw/zinc/65/12/92/560651292.db2.gz	XHJKUPHZVUNCQQ-OQLLNIDSSA-N	-1	1	411.370	2.674	40	10		HFCBMM
Cc1c(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000408923499	560654882	/nfs/dbraw/zinc/65/48/82/560654882.db2.gz	FLJAHQUBMJFTOY-UHFFFAOYSA-N	-1	1	420.450	2.821	40	10		HFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1C	ZINC000408927030	560654895	/nfs/dbraw/zinc/65/48/95/560654895.db2.gz	ZIMPEGKQOHPWHO-UHFFFAOYSA-N	-1	1	400.818	2.985	40	10		HFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1C	ZINC000408927030	560654897	/nfs/dbraw/zinc/65/48/97/560654897.db2.gz	ZIMPEGKQOHPWHO-UHFFFAOYSA-N	-1	1	400.818	2.985	40	10		HFCBMM
Cc1cc(C)nc(Sc2ccc(/C=C3/C(=O)[N-]C(=S)NC3=O)cc2[N+](=O)[O-])n1	ZINC000059219859	568702780	/nfs/dbraw/zinc/70/27/80/568702780.db2.gz	WAQFPBQYBIFTCT-UHFFFAOYSA-N	-1	1	415.456	2.907	40	10		HFCBMM
Cc1cc(C)nc(Sc2ccc(/C=C3\C(=O)[N-]C(=S)NC3=O)cc2[N+](=O)[O-])n1	ZINC000059219859	568702784	/nfs/dbraw/zinc/70/27/84/568702784.db2.gz	WAQFPBQYBIFTCT-UHFFFAOYSA-N	-1	1	415.456	2.907	40	10		HFCBMM
Cc1cc(C)nc(Sc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2[N+](=O)[O-])n1	ZINC000059219859	568702788	/nfs/dbraw/zinc/70/27/88/568702788.db2.gz	WAQFPBQYBIFTCT-UHFFFAOYSA-N	-1	1	415.456	2.907	40	10		HFCBMM
COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OS(=O)(=O)c1ccccc1	ZINC000408883208	560649964	/nfs/dbraw/zinc/64/99/64/560649964.db2.gz	UFAGRZIKQHRQON-GDNBJRDFSA-N	-1	1	407.494	2.952	40	10		HFCBMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000408914314	560653797	/nfs/dbraw/zinc/65/37/97/560653797.db2.gz	PFEJPJQLBJGEHK-NTUHNPAUSA-N	-1	1	418.862	2.912	40	10		HFCBMM
COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409188103	560688153	/nfs/dbraw/zinc/68/81/53/560688153.db2.gz	ALJIZBMQYRJPDT-NTEUORMPSA-N	-1	1	416.842	2.878	40	10		HFCBMM
CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000409192780	560689656	/nfs/dbraw/zinc/68/96/56/560689656.db2.gz	AYRZAABRWQPEHC-FKKWJZCKSA-N	-1	1	421.478	2.838	40	10		HFCBMM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)C(=O)[O-]	ZINC000033728799	569360347	/nfs/dbraw/zinc/36/03/47/569360347.db2.gz	NJAWPCNWTSZVSN-ZEVOCZHWSA-N	-1	1	416.817	2.662	40	10		HFCBMM
O=C1[N-]C(=S)S/C1=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000408765396	560629807	/nfs/dbraw/zinc/62/98/07/560629807.db2.gz	VSFQJTXLVYOVMF-ZSOIEALJSA-N	-1	1	422.465	2.851	40	10		HFCBMM
O=C(Oc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1)c1cccc2ccccc21	ZINC000408898465	560651681	/nfs/dbraw/zinc/65/16/81/560651681.db2.gz	LPCFFFDTQZYGNH-UHFFFAOYSA-N	-1	1	402.431	2.973	40	10		HFCBMM
CCOC(=O)COc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O	ZINC000014903969	560851128	/nfs/dbraw/zinc/85/11/28/560851128.db2.gz	HSMAABDBEIGFFL-WDZFZDKYSA-N	-1	1	402.291	2.880	40	10		HFCBMM
COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000033547146	569360169	/nfs/dbraw/zinc/36/01/69/569360169.db2.gz	OWZPUNLECMJRTH-GPILYODUSA-N	-1	1	416.817	2.662	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2Cc2ccccc2F)C(=O)N1	ZINC000408876300	560649483	/nfs/dbraw/zinc/64/94/83/560649483.db2.gz	OLVXAWRGYBDXHA-UHFFFAOYSA-N	-1	1	403.207	2.928	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2Cc2ccccc2F)C(=O)N1	ZINC000408876300	560649484	/nfs/dbraw/zinc/64/94/84/560649484.db2.gz	OLVXAWRGYBDXHA-UHFFFAOYSA-N	-1	1	403.207	2.928	40	10		HFCBMM
CCOc1ccc(N2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000408904886	560651762	/nfs/dbraw/zinc/65/17/62/560651762.db2.gz	PZRAQJMWMZGGGG-NTEUORMPSA-N	-1	1	413.411	2.530	40	10		HFCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000408911087	560653240	/nfs/dbraw/zinc/65/32/40/560653240.db2.gz	MVYOIAGNSRQGGN-AWNIVKPZSA-N	-1	1	415.333	2.505	40	10		HFCBMM
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2O[C@@H](C)C(=O)[O-])C(=O)NC1=S	ZINC000409191377	560689358	/nfs/dbraw/zinc/68/93/58/560689358.db2.gz	GEAYXOQFTWHUBJ-JMRXEAOASA-N	-1	1	410.451	2.678	40	10		HFCBMM
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408723404	557774518	/nfs/dbraw/zinc/77/45/18/557774518.db2.gz	UBNDLXSAJHZPTD-WUXMJOGZSA-N	-1	1	403.803	2.785	40	10		HFCBMM
Cc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=S)NC3=O)c3ccccc32)cc1	ZINC000000872750	560536468	/nfs/dbraw/zinc/53/64/68/560536468.db2.gz	UNQUTYQEENFINP-UHFFFAOYSA-N	-1	1	405.479	2.943	40	10		HFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2Br)cc1	ZINC000408872890	560649110	/nfs/dbraw/zinc/64/91/10/560649110.db2.gz	KRTPIGMKHFCZBH-UHFFFAOYSA-N	-1	1	401.285	2.954	40	10		HFCBMM
CCc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000409188954	560688236	/nfs/dbraw/zinc/68/82/36/560688236.db2.gz	LJFSJCGWYLFGEI-VLURKWGBSA-N	-1	1	424.478	2.932	40	10		HFCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000409191259	560689383	/nfs/dbraw/zinc/68/93/83/560689383.db2.gz	FNSHPPWWYDZJJL-XDUBLRSXSA-N	-1	1	410.451	2.678	40	10		HFCBMM
O=C1[N-]C(=S)S/C1=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408764053	560629547	/nfs/dbraw/zinc/62/95/47/560629547.db2.gz	VUEKJZAYNDCCNC-ZROIWOOFSA-N	-1	1	422.465	2.851	40	10		HFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(C)cc1	ZINC000408816074	560644429	/nfs/dbraw/zinc/64/44/29/560644429.db2.gz	QWUJSJKCVWZQNL-UHFFFAOYSA-N	-1	1	400.818	2.985	40	10		HFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(C)cc1	ZINC000408816074	560644431	/nfs/dbraw/zinc/64/44/31/560644431.db2.gz	QWUJSJKCVWZQNL-UHFFFAOYSA-N	-1	1	400.818	2.985	40	10		HFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OC(C)C	ZINC000408868068	560648546	/nfs/dbraw/zinc/64/85/46/560648546.db2.gz	NFVZKJYJXOLNAG-UHFFFAOYSA-N	-1	1	413.293	2.549	40	10		HFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCc1ccccc1F	ZINC000408917624	560653471	/nfs/dbraw/zinc/65/34/71/560653471.db2.gz	YODDARVFWSDXRE-NTEUORMPSA-N	-1	1	400.431	2.670	40	10		HFCBMM
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O)C(=O)[O-]	ZINC000409191522	560689362	/nfs/dbraw/zinc/68/93/62/560689362.db2.gz	YCYAIQFQISEZHK-CDDSVFCYSA-N	-1	1	414.414	2.509	40	10		HFCBMM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000033728797	569360365	/nfs/dbraw/zinc/36/03/65/569360365.db2.gz	NJAWPCNWTSZVSN-KSSSLANASA-N	-1	1	416.817	2.662	40	10		HFCBMM
CCc1nn2c(/C=C3\C(=O)[N-]C(=S)NC3=O)c(-c3ccc(Cl)cc3)nc2s1	ZINC000041077962	522703931	/nfs/dbraw/zinc/70/39/31/522703931.db2.gz	BYTAGXHIOWPMDO-UHFFFAOYSA-N	-1	1	417.903	2.588	40	10		HFCBMM
CCc1nn2c(/C=C3/C(=O)[N-]C(=S)NC3=O)c(-c3ccc(Cl)cc3)nc2s1	ZINC000041077962	522703943	/nfs/dbraw/zinc/70/39/43/522703943.db2.gz	BYTAGXHIOWPMDO-UHFFFAOYSA-N	-1	1	417.903	2.588	40	10		HFCBMM
CCc1nn2c(C=C3C(=O)[N-]C(=S)NC3=O)c(-c3ccc(Cl)cc3)nc2s1	ZINC000041077962	522703957	/nfs/dbraw/zinc/70/39/57/522703957.db2.gz	BYTAGXHIOWPMDO-UHFFFAOYSA-N	-1	1	417.903	2.588	40	10		HFCBMM
COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2ccc(Cl)cc2)c1	ZINC000408870260	560648858	/nfs/dbraw/zinc/64/88/58/560648858.db2.gz	VRBXCJUEEIQIEX-UHFFFAOYSA-N	-1	1	402.859	2.842	40	10		HFCBMM
COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2ccccc2Cl)c1	ZINC000408880857	560649905	/nfs/dbraw/zinc/64/99/05/560649905.db2.gz	LBDGMNZDLGWNPS-UHFFFAOYSA-N	-1	1	402.859	2.842	40	10		HFCBMM
CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c2C)c1	ZINC000408910966	560653271	/nfs/dbraw/zinc/65/32/71/560653271.db2.gz	MIUVIVVJCLREIV-GZTJUZNOSA-N	-1	1	411.483	2.527	40	10		HFCBMM
Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)c1	ZINC000409190473	560689201	/nfs/dbraw/zinc/68/92/01/560689201.db2.gz	OETNHJMXVKTQHC-XDUBLRSXSA-N	-1	1	410.451	2.678	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C\c2ccccc2OCc2ccccc2Br)C(=O)N1	ZINC000408891609	560650305	/nfs/dbraw/zinc/65/03/05/560650305.db2.gz	TZQJIINMNMYMMJ-UHFFFAOYSA-N	-1	1	401.216	2.778	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C/c2ccccc2OCc2ccccc2Br)C(=O)N1	ZINC000408891609	560650307	/nfs/dbraw/zinc/65/03/07/560650307.db2.gz	TZQJIINMNMYMMJ-UHFFFAOYSA-N	-1	1	401.216	2.778	40	10		HFCBMM
CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1O	ZINC000408915510	560654139	/nfs/dbraw/zinc/65/41/39/560654139.db2.gz	WPEMJAVBNYXXEA-VGOFMYFVSA-N	-1	1	415.333	2.505	40	10		HFCBMM
COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000033547147	569360155	/nfs/dbraw/zinc/36/01/55/569360155.db2.gz	OWZPUNLECMJRTH-ZRRZQRFHSA-N	-1	1	416.817	2.662	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)C(=O)N1	ZINC000408876043	560649336	/nfs/dbraw/zinc/64/93/36/560649336.db2.gz	IWASAPVLJDDXTB-UHFFFAOYSA-N	-1	1	403.207	2.928	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C\c2ccc(Cc3cccc(F)c3)c(Br)c2)C(=O)N1	ZINC000408876043	560649338	/nfs/dbraw/zinc/64/93/38/560649338.db2.gz	IWASAPVLJDDXTB-UHFFFAOYSA-N	-1	1	403.207	2.928	40	10		HFCBMM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000408981794	560661007	/nfs/dbraw/zinc/66/10/07/560661007.db2.gz	BYPLPPOUKOVLRN-ZSOIEALJSA-N	-1	1	411.370	2.538	40	10		HFCBMM
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000409191131	560689235	/nfs/dbraw/zinc/68/92/35/560689235.db2.gz	SWRNFBZMTVJFDT-MDWZMJQESA-N	-1	1	416.842	2.878	40	10		HFCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000409191258	560689376	/nfs/dbraw/zinc/68/93/76/560689376.db2.gz	FNSHPPWWYDZJJL-KWWJGWKXSA-N	-1	1	410.451	2.678	40	10		HFCBMM
O=C([O-])COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1	ZINC000409337952	560712407	/nfs/dbraw/zinc/71/24/07/560712407.db2.gz	AEQJZHXNJXQWSU-MDWZMJQESA-N	-1	1	420.493	2.758	40	10		HFCBMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1	ZINC000019718574	558981960	/nfs/dbraw/zinc/98/19/60/558981960.db2.gz	QBMDQHCRESZJGT-INIZCTEOSA-N	-1	1	422.533	2.772	40	10		HFCBMM
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000408850925	560647307	/nfs/dbraw/zinc/64/73/07/560647307.db2.gz	GKRVFSPOQDGICR-UXBLZVDNSA-N	-1	1	421.793	2.924	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C\c2ccc(Cc3ccccc3F)c(Br)c2)C(=O)N1	ZINC000408877903	560649655	/nfs/dbraw/zinc/64/96/55/560649655.db2.gz	XVTYMIYCGSDXJR-UHFFFAOYSA-N	-1	1	403.207	2.928	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C/c2ccc(Cc3ccccc3F)c(Br)c2)C(=O)N1	ZINC000408877903	560649658	/nfs/dbraw/zinc/64/96/58/560649658.db2.gz	XVTYMIYCGSDXJR-UHFFFAOYSA-N	-1	1	403.207	2.928	40	10		HFCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)NC2=S)cc1C	ZINC000409189247	560687944	/nfs/dbraw/zinc/68/79/44/560687944.db2.gz	NUYFRRVMWZAQFR-SWEABUAFSA-N	-1	1	424.478	2.987	40	10		HFCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)NC2=S)c(C)c1	ZINC000409189137	560688818	/nfs/dbraw/zinc/68/88/18/560688818.db2.gz	DFQHLGZAUMCUGO-DSQDWWTGSA-N	-1	1	424.478	2.987	40	10		HFCBMM
Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)NC2=S)c1	ZINC000409190472	560689140	/nfs/dbraw/zinc/68/91/40/560689140.db2.gz	OETNHJMXVKTQHC-KWWJGWKXSA-N	-1	1	410.451	2.678	40	10		HFCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1	ZINC000409195704	560690367	/nfs/dbraw/zinc/69/03/67/560690367.db2.gz	VMYARUMJADKRRO-PVZSTHCMSA-N	-1	1	423.406	2.681	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1	ZINC000005773773	557673917	/nfs/dbraw/zinc/67/39/17/557673917.db2.gz	JIGHPWXRBNFYNJ-UHFFFAOYSA-N	-1	1	401.216	2.778	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1	ZINC000005773773	557673919	/nfs/dbraw/zinc/67/39/19/557673919.db2.gz	JIGHPWXRBNFYNJ-UHFFFAOYSA-N	-1	1	401.216	2.778	40	10		HFCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)cc1	ZINC000409190106	560689175	/nfs/dbraw/zinc/68/91/75/560689175.db2.gz	KTTQKOMNRJRQOK-KPKJPENVSA-N	-1	1	402.815	2.575	40	10		HFCBMM
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2O[C@H](C)C(=O)[O-])C(=O)NC1=S	ZINC000409191378	560689392	/nfs/dbraw/zinc/68/93/92/560689392.db2.gz	GEAYXOQFTWHUBJ-WDGDVPDHSA-N	-1	1	410.451	2.678	40	10		HFCBMM
O=C(NN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S)c1cccs1	ZINC000409326327	560710897	/nfs/dbraw/zinc/71/08/97/560710897.db2.gz	AHBBQJHEJZRLTJ-KPKJPENVSA-N	-1	1	407.454	2.908	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1	ZINC000408801758	560642516	/nfs/dbraw/zinc/64/25/16/560642516.db2.gz	VPIXKTLSALAQMZ-UHFFFAOYSA-N	-1	1	401.762	2.577	40	10		HFCBMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1	ZINC000408801758	560642518	/nfs/dbraw/zinc/64/25/18/560642518.db2.gz	VPIXKTLSALAQMZ-UHFFFAOYSA-N	-1	1	401.762	2.577	40	10		HFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCc1cccc(F)c1	ZINC000408915073	560654021	/nfs/dbraw/zinc/65/40/21/560654021.db2.gz	ULIUAFSTZLJGBO-OQLLNIDSSA-N	-1	1	400.431	2.670	40	10		HFCBMM